1,5-diphenylpyrrolidin-3-one

C16H15NO — CID 12560066

IUPAC1,5-diphenylpyrrolidin-3-one
SMILESO=C1CC(c2ccccc2)N(c2ccccc2)C1
InChIInChI=1S/C16H15NO/c18-15-11-16(13-7-3-1-4-8-13)17(12-15)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyPHKUHNXTQARFCX-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.21
Rot. Bonds2

About 1,5-diphenylpyrrolidin-3-one

1,5-diphenylpyrrolidin-3-one (PubChem CID 12560066) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1,5-diphenylpyrrolidin-3-one.

Molecular Properties

Compound Name1,5-diphenylpyrrolidin-3-one
PubChem CID12560066
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1,5-diphenylpyrrolidin-3-one
SMILESO=C1CC(c2ccccc2)N(c2ccccc2)C1
InChIInChI=1S/C16H15NO/c18-15-11-16(13-7-3-1-4-8-13)17(12-15)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyPHKUHNXTQARFCX-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpyrrolidin-3-one?
The IUPAC name of 1,5-diphenylpyrrolidin-3-one (CID 12560066) is 1,5-diphenylpyrrolidin-3-one.
What is the SMILES notation for 1,5-diphenylpyrrolidin-3-one?
The canonical SMILES for 1,5-diphenylpyrrolidin-3-one is O=C1CC(c2ccccc2)N(c2ccccc2)C1.
What is the InChIKey of 1,5-diphenylpyrrolidin-3-one?
The InChIKey is PHKUHNXTQARFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-15-11-16(13-7-3-1-4-8-13)17(12-15)14-9-5-2-6-10-14/h1-10,16H,11-12H2.
What are the key properties of 1,5-diphenylpyrrolidin-3-one?
1,5-diphenylpyrrolidin-3-one has a molecular weight of 237.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpyrrolidin-3-one is sourced from PubChem (CID 12560066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).